3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol

C11H16BrNO2 — CID 115122058

IUPAC3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
SMILESCc1ccc(Br)cc1N(C)CC(O)CO
InChIInChI=1S/C11H16BrNO2/c1-8-3-4-9(12)5-11(8)13(2)6-10(15)7-14/h3-5,10,14-15H,6-7H2,1-2H3
InChIKeyNBXCBRDMIPICMK-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol

3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol (PubChem CID 115122058) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
PubChem CID115122058
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
SMILESCc1ccc(Br)cc1N(C)CC(O)CO
InChIInChI=1S/C11H16BrNO2/c1-8-3-4-9(12)5-11(8)13(2)6-10(15)7-14/h3-5,10,14-15H,6-7H2,1-2H3
InChIKeyNBXCBRDMIPICMK-UHFFFAOYSA-N
XLogP1.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-N,2-dimethylanilino)-4-hydroxypentanoic acid
CID 115122644
3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
1-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-3-methoxypropan-2-ol
CID 54994295
3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
CID 115121983
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
3-[2-(5-bromo-2-methylphenyl)ethylamino]propane-1,2-diol
CID 115122353
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol?
The IUPAC name of 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol (CID 115122058) is 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol?
The canonical SMILES for 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol is Cc1ccc(Br)cc1N(C)CC(O)CO.
What is the InChIKey of 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol?
The InChIKey is NBXCBRDMIPICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8-3-4-9(12)5-11(8)13(2)6-10(15)7-14/h3-5,10,14-15H,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol?
3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol has a molecular weight of 274.16 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol is sourced from PubChem (CID 115122058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).